Publikacje
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wszystkich: 52
Katalog Publikacji
Rok 2012
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The importance of the shape of the protein–water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublikacjaA single kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in the solvation shell change along with the nature of the neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water are not very different from bulk water. The local...
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The importance of the shape of the protein-water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublikacjaSingle kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in solvation shell change along with the nature of neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water is not very different from bulk water. The local values of...
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Why the solvation water around proteins is more dense than bulk water
PublikacjaThe main aim of this work is to propose a rational explanation of commonly observed phenomenon of increasing water density within solvation shell of proteins. We have observed that geometry of the water-water hydrogen bond network within solvation layer differs from the one in bulk water and it is the effect of interactions of water molecules with protein surface. Altered geometry of the network reflects changes in the structure...
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Why the Solvation Water around Proteins Is More Dense than Bulk Water
PublikacjaThe main aim of this work is to propose a rational explanation of the commonly observed phenomenon of increasing water density within solvation shell of proteins. We have observed that the geometry of the water–water hydrogen bond network within solvation layer differs from the one in bulk water, and it is the result of interactions of water molecules with protein surface. Altered geometry of the network reflects changes in the...
Rok 2013
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Badanie, metodami dynamiki molekularnej, hydratacji domeny katalitycznej cząsteczki kinezyny oraz wpływu efektów hydratacyjnych na jej funkcjonalność motoryczną
PublikacjaCelem pracy było zbadanie właściwości wody solwatacyjnej wokół domeny motorycznej kinezyny oraz pomiędzy kinezyną a dimerem tubulinowym. Ponadto, analizowany był wpływ rozpuszczalnika na siłę generowaną przez szyjkę łącznikową kinezyny. Dane otrzymane zostały z użyciem symulacji komputerowych. Odkryto liniową korelację pomiędzy współczynnikami dyfuzji wody solwatacyjnej i ruchliwością sąsiadujących atomów białka. Wpływ wody na...
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Development of a liquid chromatography–tandem mass spectrometryprocedure for determination of endocrine disrupting compounds infish from Mediterranean rivers
PublikacjaA new, sensitive and rapid method based on QuEChERS (Quick, Easy, Cheap, Effective, Rugged and Safe)approach followed by ultra high performance liquid chromatography coupled with tandem mass spec-trometry (UHPLC–MS/MS) was developed for the determination of nineteen endocrine disruptors (EDCs)and related compounds belonging to different classes in various fish species. Matrix effect on the analyti-cal performance was evaluated,...
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Pesticide residues levels in honey from apiaries located of Northern Poland
PublikacjaConcentration levels of 30 pesticide residues were measured in honey samples collected from apiaries in northern part of Poland (Pomerania) using method based on the QuEChERS extraction followed by liquid chromatography-tandem mass spectrometry with electron spray ionization (LC-ESI-MS/MS). In 29% of the samples were found positive for at least some of the target compounds. Concentration of bifenthrin, fenpyroximate, methidathion,...
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Properties of water in the region between a tubulin dimer and a single motor head of kinesin
PublikacjaA kinesin is a molecular motor that can perform movement on a microtubule track in a stepping-like manner. This motion is connected with processes of association and dissociation of kinesin and tubulin. Water is an important participant in these kinds of molecular interactions. This is why we have decided to investigate the dynamical and structural properties of water in the region between the kinesin catalytic domain and the tubulin...
Rok 2014
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Determination of Pesticide Residues in Honey using the GC×GC-TOFMS Technique
PublikacjaIn this study, a QuEChERS method and gas chromatography coupled with time-of-flight mass spectrometry (GCxGC-TOFMS) was developed for rapid extraction and simultaneous determination of 12 pesticide residues in honey. The GCxGC-TOFMS method was validated according to the SANCO guidance in terms of linearity, selectivity, reproducibility and recovery. Regarding the results, recovery rates ranged between 70-120% with relative standard...
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Determination of Pesticide Residues in Honeybees using Modified QUEChERS Sample Work-Up and Liquid Chromatography-Tandem Mass Spectrometry
PublikacjaIncreasing emissions of chemical compounds to the environment, especially of pesticides, is one of factors that may explain present honeybee colony losses. In this work, an analytical method employing liquid chromatography-tandem mass spectrometry (LC-MS/MS) was optimized for the simultaneous screening of 19 pesticides which have not been yet determined in honeybee samples from northern Poland (Pomerania). The sample preparation,...
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Determining pesticide contamination in honey by LC-ESI-MS/MS - Comparison of pesticide recoveries of two liquid-liquid extraction based approaches
PublikacjaHoney, a valuable food product, may be contaminated by xenobiotics during its production and/or harvest. The determination of trace levels of contaminants in a complex matrix like honey still presents a challenge to analytical chemists. The aim of this work was to assess and compare the extraction efficiencies of 30 pesticide residues (acaricides, insecticides, herbicides, fungicides), belonging to over 15 different chemical classes....
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OZNACZANIE POZOSTAŁOŚCI PESTYCYDÓW W ORGANIZMACH PSZCZELICH ORAZ W MIODZIE Z WYKORZYSTANIEM PROCEDURY OPARTEJ NA ZASTOSOWANIU CHROMATOGRAFÓW SPRZĘŻONYCH Z TANDEMOWYMI SPEKTROMETRAMI MAS (GC-MS/MS i LC-MS/MS)
PublikacjaPestycydy to bardzo liczna grupa różnorodnych związków chemicznych stosowa-nych w rolnictwie. Ze względu na swoją trwałość gromadzą się w różnych elementach środowiska i mogą występować w obszarze, na którym nigdy nie zostały użyte. Zachodzi także proces ich bioakumulacji w tkankach oraz narządach zwierząt i roślin. Stosowane w rolnictwie środki ochrony roślin (szczególnie w okresie wzmożonych zabiegów agro-technicznych wiosną...
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Unusual structural properties of water within the hydration shell of hyperactive antifreeze protein
PublikacjaMany hypotheses can be encountered explaining the mechanism of action of antifreeze proteins. One widespread theory postulates that the similarity of structural properties of solvation water of antifreeze proteins to ice is crucial to the antifreeze activity of these agents. In order to investigate this problem, the structural properties of solvation water of the hyperactive antifreeze protein from Choristoneura fumiferana were...
Rok 2015
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Development of gas chromatography - tandem mass spectrometry procedure for development of pesticide residues in honey and honeybee samples
PublikacjaA new analytical procedure of determination of multiresidue of pesticides based on application of the modified QuEChERS approach at the step of sample preparation and technique GC-MS/MS has been developed and applied for studies the real honey and honeybee samples. Samples were collected from northern Poland (Pomerania). The proposed procedure enables for the determination of 34 and 30 pesticides residues respectively on honey...
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Unusual dynamic properties of water near the ice-binding plane of hyperactive antifreeze protein
PublikacjaThe dynamical properties of solvation water of hyperactive antifreeze protein from Choristoneura fumiferana (CfAFP) are analyzed and discussed in context of its antifreeze activity. The protein comprises of three well-defined planes and one of them binds to the surface of ice. The dynamical properties of solvation water around each of these planes were analyzed separately; the results are compared with the dynamical properties...
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Water-mediated long-range interactions between the internal vibrations of remote proteins
PublikacjaIt is generally acknowledged that the mobility of protein atoms and the mobility of water molecules in the solvation layer are connected. In this article, we answer the question whether a similar interdependence exists between the motions of atoms of proteins separated by the hydration layers of variable thickness. The system consisted of a kinesin catalytic domain and a tubulin dimer. It was studied using molecular dynamics simulations....
Rok 2016
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Honey bees and their products - bioindicators of environmental contamination
PublikacjaHuman activities produce contaminants, the amounts and toxicity of which often exceed the environment’s homeostatic capacity to cleanse itself. Hence, the systematic analysis and monitoring of the environment is increasingly a matter of urgency. Honey bees, thanks to their morphological features, and also bee products are regarded as good indicators of environmental pollution by toxic substances, be these heavy metals, radioactive...
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Masowe wymieranie pszczół – problem nie tylko pszczelarzy
PublikacjaPestycydy to bardzo liczna grupa różnorodnych związków chemicznych stosowanych w rolnictwie. Ze względu na swoją trwałość gromadzą się w różnych elementach środowiska i mogą występować w obszarze, na którym nigdy nie zostały użyte. Zachodzi także proces ich bioakumulacji w tkankach oraz narządach zwierząt i roślin. Stosowane w rolnictwie środki ochrony roślin (szczególnie w okresie wzmożonych zabiegów agrotechnicznych wiosną...
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Structure of solvation water around the active and inactive regions of a type III antifreeze protein and its mutants of lowered activity
PublikacjaWater molecules from the solvation shell of the ice-binding surface are considered important for the antifreeze proteins to perform their function properly. Herein, we discuss the problem whether the extent of changes of the mean properties of solvation water can be connected with the antifreeze activity of the protein. To this aim, the structure of solvation water of a type III antifreeze protein from Macrozoarces americanus (eel...
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Water-mediated influence of a crowded environment on internal vibrations of a protein molecule
PublikacjaThe influence of crowding on the protein inner dynamics is examined by putting a single protein molecule close to one or two neighboring protein molecules. The presence of additional molecules influences the amplitudes of protein fluctuations. Also, a weak dynamical coupling of collective velocities of surface atoms of proteins separated by a layer of water is detected. The possible mechanisms of these phenomena are described....